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Comparative Study of Electron Correlation and Relativistic Effects in CuF, AgF, and AuF

✍ Scribed by Iliaš, Miroslav; Furdík, Peter; Urban, Miroslav


Book ID
126063503
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
65 KB
Volume
102
Category
Article
ISSN
1089-5639

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The equilibrium geometries and relative stabilities of several structural isomers of tungsten hexahydride, WH , have been obtained at 6 different levels of quantum chemical calculations. The performance of various Ž . strategies to i include electron correlation, viz. density functional theory based